(7-chloranyl-1,3-benzodioxol-5-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCO3)CC4=CC=CS4

InChI

InChI=1S/C18H19ClN2O3S/c19-15-9-13(10-16-17(15)24-12-23-16)18(22)21-5-2-4-20(6-7-21)11-14-3-1-8-25-14/h1,3,8-10H,2,4-7,11-12H2